SCHEMBL19806512

SCHEMBL19806512

FC(F)(F)c1cccc(-c2cc[nH]n2)n1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.45
IDH1 O75874 16/20 0.44
IDH2 P48735 4/20 0.44
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA3 P34903 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30395354 0.82 NOTUM (0.58) NOTUMIDH1IDH2GABRA1GABRG2
SCHEMBL15624402 0.82 NOTUM (0.58) NOTUMIDH1IDH2GABRA1GABRG2
SCHEMBL2458453 0.80 CCR1 (0.41)
SCHEMBL19806300 0.76 PIM1 (0.34)
SCHEMBL28054791 0.73 BTK (0.34) GABRA1GABRG2GABRB3GABRA3
SCHEMBL30936047 0.72 IDH1 (0.39) IDH1IDH2GABRA1GABRG2GABRB3
SCHEMBL20090323 0.72
SCHEMBL15326962 0.72 CCR1 (0.64)
SCHEMBL14655925 0.72 JAK2 (0.41) IDH1IDH2
SCHEMBL29590093 0.72 CCR1 (0.64)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190292179-A1 TGF Beta RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2019-09-26 US disclosed
US-20190292179-A1 TGF Beta RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2019-09-26 US disclosed
WO-2018017633-A1 TGF Beta RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-25 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190292179-A1 TGF Beta RECEPTOR ANTAGONISTS TGFBR1, TGFBR2, TGFB1 NOTUM 3998/4885IDH1 1950/4885IDH2 2476/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.